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851199-59-2

Basic Information
CAS No.: 851199-59-2
Name: Linaclotide
Molecular Structure:
Molecular Structure of 851199-59-2 (Linaclotide)
Formula: C59H79N15O21S6
Molecular Weight: 1526.76
Synonyms: UNII-N0TXR0XR5X;Linaclotide [USAN];
EINECS: N/A
Density: 1.60
Melting Point: N/A
Boiling Point: 2045.0±65.0 °C(Predicted)
Flash Point: N/A
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 725.71000
LogP: -0.59300
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  • Pharmaceutical raw material Linaclotide

  • Casno:

    851199-59-2

    Pharmaceutical raw material Linaclotide

    Min.Order: 1 Gram

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  • High quality Linaclotide Acetate

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    851199-59-2

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  • Linaclotide CAS NO. 851199-59-2

  • Casno:

    851199-59-2

    Linaclotide CAS NO. 851199-59-2

    Min.Order: 1 Kilogram

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  • Linaclotide CAS NO.851199-59-2  CAS NO.851199-59-2

  • Casno:

    851199-59-2

    Linaclotide CAS NO.851199-59-2 CAS NO.851199-59-2

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

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Specification

The Linaclotide, with the CAS registry number 851199-59-2, is also known as UNII-N0TXR0XR5X. This chemical's molecular formula is C59H79N15O21S6 and molecular weight is 1526.74. What's more, its classification code is Treatment of irritable bowel syndrome with constipation [IB-C], chronic constipation and other gastrointestinal disorders. Linaclotide is an experimental peptide agonist of guanylate cyclase 2C that is undergoing clinical trials for use in treating abdominal pain in patients with irritable bowel syndrome accompanied by constipation.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)CNC(=O)C(NC2=O)C(C)O)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)O)C(=O)NC(CSSCC(C(=O)N3)N)C(=O)NC(C(=O)N5CCCC5C(=O)N1)CC(=O)N)CC6=CC=C(C=C6)O)CCC(=O)O
(2)Isomeric SMILES: C[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)C(=O)N[C@@H](CSSC[C@@H](C(=O)N3)N)C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N1)CC(=O)N)CC6=CC=C(C=C6)O)CCC(=O)O
(3)InChI: InChI=1S/C59H79N15O21S6/c1-26-47(82)69-41-25-101-99-22-38-52(87)65-33(13-14-45(80)81)49(84)66-34(16-28-5-9-30(76)10-6-28)50(85)71-40(54(89)72-39(23-97-96-20-32(60)48(83)70-38)53(88)67-35(18-43(61)78)58(93)74-15-3-4-42(74)56(91)63-26)24-100-98-21-37(64-44(79)19-62-57(92)46(27(2)75)73-55(41)90)51(86)68-36(59(94)95)17-29-7-11-31(77)12-8-29/h5-12,26-27,32-42,46,75-77H,3-4,13-25,60H2,1-2H3,(H2,61,78)(H,62,92)(H,63,91)(H,64,79)(H,65,87)(H,66,84)(H,67,88)(H,68,86)(H,69,82)(H,70,83)(H,71,85)(H,72,89)(H,73,90)(H,80,81)(H,94,95)/t26-,27+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
(4)InChIKey: KXGCNMMJRFDFNR-WDRJZQOASA-N

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